PROJECT #16485 RESEARCH FOR CANCER
FOLDING PERFORMANCE PROFILE

PROJECT SUMMARY

In cancer treatment it is common to target multiple different putative proteins, because multiple proteins can malfunction in tumors to drive cancer. 

One such protein, particularly known to be important in endocrine gland tumors (the places where hormones are secreted), is Menin-1 (Menin). Menin is a protein found in the nucleus protein and plays a key role in regulating cell-signaling and gene expression (which genes turn on and off). While the explicit details of Menin's behavior are not known, targeting it's inhibition with small-molecules (ligands) has demonstrated promising potential in blocking tumor growth. However, like with many disease, mutations within Menin can *also* counteract this ligand-binding behavior. Therefore, it is not just important to study how Menin works, or how to target it with small molecules, but also how mutations impact Menin-Ligand interactions.  

This set of projects seeks to answer the latter two questions - how do small molecules inhibit Menin and how do mutations within Menin alter small-molecule affinity. In projects 16472 & 16473, we simulate Menin by itself and Menin bound to a known small molecule inhibitor that is shown to treat tumors in patients! Thanks to the powerhouse efforts at cataloguing cancer mutations at Memorial Sloan-Kettering, we also know of 3 mutations that impact the ability of Menin to bind this inhibitor. Projects 16474–16487 simulate either a) each of these Menin mutants or b) Menin mutants bound to this inhibitor.

Bonus: Some of these structures are being simulated with the help of the AlphaFold database!

PROJECT INFO

Manager(s): Sukrit Singh

Institution: Memorial Sloan-Kettering Cancer-Center

Project URL: http://sukritsingh.github.io/

PROJECT WORK UNIT SUMMARY

Atoms: 187,585

Core: OPENMM_22

Status: Public

PROJECT FOLDING PPD AVERAGES BY GPU

PPDDB data as of Friday, 03 December 2021 04:36:11

Rank
Project
Model Name
Folding@Home Identifier
Make
Brand
GPU
Model
PPD
Average
Points WU
Average
WUs Day
Average
WU Time
Average
1 GeForce RTX 3090
GA102 [GeForce RTX 3090]
Nvidia GA102 7,111,715 499,204 14.25 2 hrs 41 mins
2 GeForce RTX 3080 Ti
GA102 [GeForce RTX 3080 Ti]
Nvidia GA102 6,976,115 497,236 14.03 2 hrs 43 mins
3 GeForce RTX 3080
GA102 [GeForce RTX 3080]
Nvidia GA102 5,402,196 460,043 11.74 2 hrs 3 mins
4 GeForce RTX 2080 Ti
TU102 [GeForce RTX 2080 Ti] M 13448
Nvidia TU102 4,464,149 430,956 10.36 2 hrs 19 mins
5 GeForce RTX 3070 Ti
GA104 [GeForce RTX 3070 Ti]
Nvidia GA104 4,426,266 434,547 10.19 2 hrs 21 mins
6 GeForce RTX 2080 Ti Rev. A
TU102 [GeForce RTX 2080 Ti Rev. A] M 13448
Nvidia TU102 4,302,575 424,917 10.13 2 hrs 22 mins
7 GeForce RTX 3080 Lite Hash Rate
GA102 [GeForce RTX 3080 Lite Hash Rate]
Nvidia GA102 4,017,907 416,040 9.66 2 hrs 29 mins
8 GeForce RTX 3070 Lite Hash Rate
GA104 [GeForce RTX 3070 Lite Hash Rate]
Nvidia GA104 3,705,762 405,502 9.14 3 hrs 38 mins
9 GeForce RTX 3070
GA104 [GeForce RTX 3070]
Nvidia GA104 3,644,006 402,447 9.05 3 hrs 39 mins
10 GeForce RTX 2080 Rev. A
TU104 [GeForce RTX 2080 Rev. A] 10068
Nvidia TU104 3,442,017 395,884 8.69 3 hrs 46 mins
11 Radeon RX 6800/6800 XT / 6900 XT
Navi 21 [Radeon RX 6800/6800 XT / 6900 XT]
AMD Navi 21 3,251,012 385,338 8.44 3 hrs 51 mins
12 GeForce RTX 3060 Ti
GA104 [GeForce RTX 3060 Ti]
Nvidia GA104 3,195,149 386,434 8.27 3 hrs 54 mins
13 GeForce RTX 2070 SUPER
TU104 [GeForce RTX 2070 SUPER] 8218
Nvidia TU104 2,877,766 372,035 7.74 3 hrs 6 mins
14 TITAN Xp
GP102 [TITAN Xp] 12150
Nvidia GP102 2,856,754 371,959 7.68 3 hrs 7 mins
15 GeForce RTX 2080 Super
TU104 [GeForce RTX 2080 SUPER]
Nvidia TU104 2,778,033 368,111 7.55 3 hrs 11 mins
16 GeForce RTX 3060 Ti Lite Hash Rate
GA104 [GeForce RTX 3060 Ti Lite Hash Rate]
Nvidia GA104 2,773,562 368,226 7.53 3 hrs 11 mins
17 GeForce RTX 2080
TU104 [GeForce RTX 2080]
Nvidia TU104 2,749,222 367,830 7.47 3 hrs 13 mins
18 GeForce GTX 1080 Ti
GP102 [GeForce GTX 1080 Ti] 11380
Nvidia GP102 2,498,393 353,856 7.06 3 hrs 24 mins
19 GeForce RTX 2070 Rev. A
TU106 [GeForce RTX 2070 Rev. A] M 7465
Nvidia TU106 2,450,827 352,743 6.95 3 hrs 27 mins
20 GeForce RTX 2060 Super
TU106 [GeForce RTX 2060 SUPER]
Nvidia TU106 2,234,007 343,020 6.51 4 hrs 41 mins
21 GeForce RTX 3060
GA106 [GeForce RTX 3060]
Nvidia GA106 2,180,210 339,913 6.41 4 hrs 45 mins
22 GeForce RTX 3060 Lite Hash Rate
GA106 [GeForce RTX 3060 Lite Hash Rate]
Nvidia GA106 2,097,510 333,914 6.28 4 hrs 49 mins
23 Quadro RTX 4000
TU104GL [Quadro RTX 4000]
Nvidia TU104GL 2,060,322 334,144 6.17 4 hrs 54 mins
24 GeForce RTX 2060
TU106 [Geforce RTX 2060]
Nvidia TU106 2,006,734 331,257 6.06 4 hrs 58 mins
25 Radeon RX 6900 XT
Navi 21 [Radeon RX 6900 XT]
AMD Navi 21 1,960,605 327,177 5.99 4 hrs 0 mins
26 GeForce RTX 2070
TU106 [GeForce RTX 2070] M 6497
Nvidia TU106 1,912,138 326,161 5.86 4 hrs 6 mins
27 GeForce RTX 3070 Mobile / Max-Q 8GB/16GB
GA104M [GeForce RTX 3070 Mobile / Max-Q 8GB/16GB]
Nvidia GA104M 1,708,797 314,180 5.44 4 hrs 25 mins
28 GeForce RTX 2060
TU104 [GeForce RTX 2060]
Nvidia TU104 1,682,654 311,771 5.40 4 hrs 27 mins
29 Radeon VII
Vega 20 [Radeon VII] 13,284
AMD Vega 20 1,457,627 296,929 4.91 5 hrs 53 mins
30 GeForce GTX 1070 Ti
GP104 [GeForce GTX 1070 Ti] 8186
Nvidia GP104 1,375,244 291,890 4.71 5 hrs 6 mins
31 GeForce GTX 1070
GP104 [GeForce GTX 1070] 6463
Nvidia GP104 1,283,641 285,273 4.50 5 hrs 20 mins
32 GeForce GTX 1080
GP104 [GeForce GTX 1080] 8873
Nvidia GP104 1,283,152 284,622 4.51 5 hrs 19 mins
33 Radeon RX 5600 OEM/5600 XT/5700/5700 XT
Navi 10 [Radeon RX 5600 OEM/5600 XT/5700/5700 XT]
AMD Navi 10 1,234,492 281,556 4.38 5 hrs 28 mins
34 GeForce GTX 1660 Ti
TU116 [GeForce GTX 1660 Ti]
Nvidia TU116 1,157,570 275,468 4.20 6 hrs 43 mins
35 GeForce GTX 1660 SUPER
TU116 [GeForce GTX 1660 SUPER]
Nvidia TU116 1,117,173 271,636 4.11 6 hrs 50 mins
36 Radeon RX Vega 56/64
Vega 10 XL/XT [Radeon RX Vega 56/64]
AMD Vega 10 XL/XT 1,110,262 271,607 4.09 6 hrs 52 mins
37 RTX A2000 Mobile
GA107GLM [RTX A2000 Mobile]
GA107GLM 953,207 258,986 3.68 7 hrs 31 mins
38 Radeon RX 6700/6700 XT / 6800M
Navi 22 [Radeon RX 6700/6700 XT / 6800M]
AMD Navi 22 937,725 248,929 3.77 6 hrs 22 mins
39 GeForce GTX 1660
TU116 [GeForce GTX 1660]
Nvidia TU116 850,074 249,043 3.41 7 hrs 2 mins
40 GeForce GTX 980
GM204 [GeForce GTX 980] 4612
Nvidia GM204 837,759 247,564 3.38 7 hrs 6 mins
41 GeForce GTX 1060 6GB
GP106 [GeForce GTX 1060 6GB] 4372
Nvidia GP106 753,227 239,040 3.15 8 hrs 37 mins
42 P104-100
GP104 [P104-100]
Nvidia GP104 740,825 237,412 3.12 8 hrs 41 mins
43 GeForce GTX 970
GM204 [GeForce GTX 970] 3494
Nvidia GM204 645,515 227,021 2.84 8 hrs 26 mins
44 Radeon R9 Fury X
Fiji XT [Radeon R9 Fury X]
AMD Fiji XT 626,180 224,461 2.79 9 hrs 36 mins
45 GeForce GTX 1650 SUPER
TU116 [GeForce GTX 1650 SUPER]
Nvidia TU116 586,005 219,734 2.67 9 hrs 60 mins
46 GeForce GTX 1650 Ti Mobile
TU117M [GeForce GTX 1650 Ti Mobile]
Nvidia TU117M 576,118 207,987 2.77 9 hrs 40 mins
47 P106-100
GP106 [P106-100]
Nvidia GP106 515,739 210,617 2.45 10 hrs 48 mins
48 GeForce GTX 1650 Mobile / Max-Q
TU117M [GeForce GTX 1650 Mobile / Max-Q]
Nvidia TU117M 489,670 207,369 2.36 10 hrs 10 mins
49 Radeon RX 470/480/570/580/590
Ellesmere XT [Radeon RX 470/480/570/580/590]
AMD Ellesmere XT 446,442 200,517 2.23 11 hrs 47 mins
50 Radeon RX 5500/5500M / Pro 5500M
Navi 14 [Radeon RX 5500/5500M / Pro 5500M]
AMD Navi 14 412,216 194,620 2.12 11 hrs 20 mins
51 Quadro T1000 Mobile
TU117GLM [Quadro T1000 Mobile]
Nvidia TU117GLM 364,993 187,852 1.94 12 hrs 21 mins
52 GeForce GTX 960
GM206 [GeForce GTX 960] 2308
Nvidia GM206 305,549 176,849 1.73 14 hrs 53 mins
53 GeForce GTX 950
GM206 [GeForce GTX 950] 1572
Nvidia GM206 250,023 165,064 1.51 16 hrs 51 mins
54 GeForce GTX 680
GK104 [GeForce GTX 680] 3250
Nvidia GK104 234,403 161,736 1.45 17 hrs 34 mins
55 Radeon HD 7800
Pitcairn [Radeon HD 7800]
AMD Pitcairn 180,123 148,220 1.22 20 hrs 45 mins
56 Quadro K1200
GM107GL [Quadro K1200]
Nvidia GM107GL 94,081 119,490 0.79 30 hrs 29 mins
57 GeForce 940MX
GM107 [GeForce 940MX]
Nvidia GM107 59,490 102,534 0.58 41 hrs 22 mins
58 Radeon APU A4-6000 R2
Mullins [Radeon APU A4-6000 R2]
AMD Mullins 6,548 69,738 0.09 256 hrs 36 mins

PROJECT FOLDING PPD AVERAGES BY CPU BETA

PPDDB data as of Friday, 03 December 2021 04:36:11

Rank
Project
CPU Model Logical
Processors (LP)
PPD-PLP
AVG PPD per 1 LP
ALL LP-PPD
(Estimated)
Make